Registration Dossier
Registration Dossier
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EC number: 212-825-5 | CAS number: 872-36-6
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR Prediction
Data source
Reference
- Reference Type:
- other: software
- Title:
- BCF (EPISUITE)
- Author:
- US Environmental Protection Agency
- Year:
- 1 997
- Bibliographic source:
- EPI suite
- Report date:
- 2021
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs R.6
- Principles of method if other than guideline:
- General model
Test material
- Reference substance name:
- Vinylene carbonate
- EC Number:
- 212-825-5
- EC Name:
- Vinylene carbonate
- Cas Number:
- 872-36-6
- Molecular formula:
- C3H2O3
- IUPAC Name:
- 2H-1,3-dioxol-2-one
Constituent 1
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 3.162 L/kg
Any other information on results incl. tables
The minimum and maximum values for molecular weight and logKow are listed below. Currently there is no universally accepted definition of model domain. However, users may wish to consider the possibility that bioconcentration factor estimates are less accurate for compounds outside the MW and logKow ranges of the training set compounds, and/or that have more instances of a given correction factor than the maximum for all training set compounds. It is also possible that a compound may have a functional group(s) or other structural features not represented in the training set, and for which no fragment coefficient was developed; and that a compound has none of the fragments in the model’s fragment library. In the latter case, predictions are based on molecular weight alone. Training Set (527 Compounds):
Molecular Weight: Minimum MW: 68.08 (Furan) Maximum MW: 991.80 Ionic Maximum MW: 959.17 Non-Ionic Average MW: 244.00
Log Kow: Minimum LogKow: -6.50 Ionic Minimum LogKow: -1.37 Non-Ionic Maximum LogKow: 11.26
Applicant's summary and conclusion
- Conclusions:
- Toxicity of the target chemical (3.162 L/kg wet) is predicted by QSAR "BCF (EPISUITE)".
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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